[gmx-users] Md simulation error

maria khan mariabiochemist1 at gmail.com
Tue Nov 8 20:07:38 CET 2016

Dear justin lemkul,,
Thanks alot..i like the way u answer my stupid questions..actually i dont
have anyone to guide me except u.thats why i ask even stupid questions.dont
mind please.i want to work under your supervision because i have passion
for simulation on gromacs.
Now coming to the point,,my problem was concerned with his residue of atom
HD1.I just went to pdb file and rename that HD1 to H3.then two files formed
that are  " "posre _protein chain_A.itp  and  topol_protein_chain _A.itp""
.while  topol.top   remained empty.now it gives me another error that is
" " Residue 'IS A' not found in residue topology database"".
im using version 5.1.2 actually.
i 'll encourage and wellcome even live discussion with you.I studied your
papers on simulation.
GOD bless you.
Maria khan

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